SCHEMBL7224470

SCHEMBL7224470

O=C(Nc1cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 2/20 0.59
CD40LG P29965 2/20 0.59
FGF1 P05230 1/20 0.56
ALOX5 P09917 1/20 0.55
CASP6 P55212 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TYMS P04818 1/20 0.50
KDR P35968 1/20 0.49
TIMP3 P35625 2/20 0.49
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26695543 0.91 CD40 (0.72) CD40CD40LGFGF1ALOX5CASP6
SCHEMBL7224790 0.91 ALOX5 (0.56) CD40CD40LGFGF1ALOX5CASP6
SCHEMBL7222842 0.89 ALOX5 (0.68) CD40CD40LGFGF1ALOX5CASP6
SCHEMBL7223574 0.87 FGF1 (0.60) CD40CD40LGFGF1CASP6MEN1
SCHEMBL7233377 0.87 CASP6 (0.60) FGF1ALOX5CASP6MEN1KMT2A
SCHEMBL7233109 0.86 FGF1 (0.59) FGF1CASP6MEN1KMT2AKDR
SCHEMBL7232290 0.86 FGF1 (0.59) FGF1CASP6MEN1KMT2ATIMP3
SCHEMBL7230621 0.86 CASP6 (0.60) CD40CD40LGFGF1CASP6MEN1
SCHEMBL7231412 0.85 SIRT2 (0.54) FGF1CASP6MEN1KMT2AMAPT
SCHEMBL6240628 0.84 CASP6 (0.72) FGF1ALOX5CASP6MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653321-B1 Stimulating kinase activity of insulin receptor; type II diabetes; hyperglycemia TELIK, INC. 2003-11-25 US disclosed